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Electronic excitation energies of molecules in solution within continuum solvation models: investigating the discrepancy between state-specific and linear-response methods.
Corni S, Cammi R, Mennucci B, Tomasi J. Corni S, et al. J Chem Phys. 2005 Oct 1;123(13):134512. doi: 10.1063/1.2039077. J Chem Phys. 2005. PMID: 16223319
In a recent article [R. Cammi, S. Corni, B. Mennucci, and J. Tomasi, J. Chem. Phys. 122, 104513 (2005)], we demonstrated that the state-specific (SS) and the linear-response (LR) approaches, two different ways to calculate solute excitation energies in the framework …
In a recent article [R. Cammi, S. Corni, B. Mennucci, and J. Tomasi, J. Chem. Phys. 122, 104513 (2005)], we demonstrated that …
145 results